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4-Bromo-2,5-difluoroiodobenzene - 97%, high purity , CAS No.145349-66-2
Discover 4-Bromo-2,5-difluoroiodobenzene by Aladdin Scientific in 97% for only $859.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-Bromo-2,5-difluoroiodobenzene | 145349-66-2 | 1-bromo-2,5-difluoro-4-iodobenzene | Benzene, 1-bromo-2,5-difluoro-4-iodo- | MFCD04973906 | 1-bromo-2,5-difluoro-4-iodo-benzene | SCHEMBL5174339 | DTXSID10373636 | DOGSQPBKZOMWDT-UHFFFAOYSA-N | VFA34966 | 1-bromo-2,5-difluoro-4
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Iodobenzenes
Alternative Parents
Fluorobenzenes Bromobenzenes Aryl iodides Aryl fluorides Aryl bromides Organoiodides Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Iodobenzene - Fluorobenzene - Bromobenzene - Aryl iodide - Aryl halide - Aryl fluoride - Aryl bromide - Hydrocarbon derivative - Organoiodide - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
1-bromo-2,5-difluoro-4-iodobenzene
INCHI
InChI=1S/C6H2BrF2I/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKey
DOGSQPBKZOMWDT-UHFFFAOYSA-N
Smiles
C1=C(C(=CC(=C1Br)F)I)F
Isomeric SMILES
C1=C(C(=CC(=C1Br)F)I)F
Molecular Weight
318.9
Reaxy-Rn
9696534
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9696534&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
318.880 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
317.835 Da
Monoisotopic Mass
317.835 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
122.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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